4-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C8H12F3NO — CID 115020125

IUPAC4-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESOC1(C(F)(F)F)CCC2CNCC21
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(13)2-1-5-3-12-4-6(5)7/h5-6,12-13H,1-4H2
InChIKeyVFHXPEWEWUEMEE-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.91
Rot. Bonds

About 4-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

4-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 115020125) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name4-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID115020125
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name4-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESOC1(C(F)(F)F)CCC2CNCC21
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(13)2-1-5-3-12-4-6(5)7/h5-6,12-13H,1-4H2
InChIKeyVFHXPEWEWUEMEE-UHFFFAOYSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol with MolForge

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Related Compounds

(3aS,4S,5R,6aR)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
CID 55287877
(3aS,4S,5S,6aR)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
CID 55287878
rel-(3aS,4R,5R,6aR)-5-fluorooctahydrocyclopenta[c]pyrrol-4-ol
CID 55287879
rel-(3aS,4R,5S,6aR)-5-fluorooctahydrocyclopenta[c]pyrrol-4-ol
CID 55287880
(3aS,4R,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 60007131
5-Fluoro-octahydro-cyclopenta[c]pyrrol-4-ol
CID 69559162
5,5-Difluoro-octahydro-cyclopenta[c]pyrrol-4-ol
CID 69559302
(3aS,5S,6aR)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
CID 147765068
5-(difluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 171731523
5-(Trifluoromethyl)-octahydrocyclopenta[c]pyrrol-5-ol
CID 50990621
(3aR,5R,6aS)-5-(trifluoromethyl)-octahydrocyclopenta[c]pyrrol-5-ol
CID 52420951
(3aR,6aR)-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 52420953

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 4-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 115020125) is 4-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 4-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 4-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is OC1(C(F)(F)F)CCC2CNCC21.
What is the InChIKey of 4-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is VFHXPEWEWUEMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)7(13)2-1-5-3-12-4-6(5)7/h5-6,12-13H,1-4H2.
What are the key properties of 4-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
4-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 195.18 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 115020125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).